Geometry & MOs

Info

ID:	411308
PubChem CID:	135084121
Reduced:	OC4H6 (3)
Stoich.:	AB4C6 (3)
Weight, g/mol:	236.035255
ΔH_f, kcal/mol:	-137.55
Dipole, Da:	4.62
IP(EA), eV:	-9.74(0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1Z,3E)-4-(2-chlorophenyl)-2-diazonio-1-methoxybuta-1,3-dien-1-olate

Drug info:

PubChemData

Smile

CC(=O)CC1CCC2(CC1=C)OCCO2

DOS

IR

Vibrations